CID 82117814

4-(3-bromophenyl)-2-methylbutan-2-ol

Structural Information

Molecular Formula
C11H15BrO
SMILES
CC(C)(CCC1=CC(=CC=C1)Br)O
InChI
InChI=1S/C11H15BrO/c1-11(2,13)7-6-9-4-3-5-10(12)8-9/h3-5,8,13H,6-7H2,1-2H3
InChIKey
XPFVICQNZIUSPF-UHFFFAOYSA-N
Compound name
4-(3-bromophenyl)-2-methylbutan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.03062 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.037896 148.9
[M+Na]+ 265.019838 159.5
[M-H]- 241.023344 153.9
[M+NH4]+ 260.064443 169.8
[M+K]+ 280.993778 148.0
[M+H-H2O]+ 225.027880 149.6
[M+HCOO]- 287.028821 167.5
[M+CH3COO]- 301.044471 188.4
[M+Na-2H]- 263.005286 156.2
[M]+ 242.03007142 167.5
[M]- 242.03116858 167.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.